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145588-95-0 | 1-Propanone, 1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]-
CAS No: 145588-95-0 Catalog No: AG001D7I MDL No:MFCD08062491
Product Description
Catalog Number:
AG001D7I
Chemical Name:
1-Propanone, 1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]-
CAS Number:
145588-95-0
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
MDL Number:
MFCD08062491
IUPAC Name:
1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one
InChI:
InChI=1S/C13H15NO2S/c1-2-12(15)14-11(9-16-13(14)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChI Key:
RMIDPJIHKSUBCO-NSHDSACASA-N
SMILES:
CCC(=O)N1[C@H](COC1=S)Cc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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